General Information of the Compound
| Compound ID |
CP0506368
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| Compound Name |
2-(2-methyl-4-oxo-1H-pyrimido[1,2-a]benzimidazol-3-yl)ethyl cyclohexanecarboxylate
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| Structure |
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| Formula |
C20H23N3O3
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| Molecular Weight |
353.422
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| Canonical SMILES |
Cc1nc2[nH]c3ccccc3n2c(=O)c1CCOC(=O)C1CCCCC1
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| InChI |
InChI=1S/C20H23N3O3/c1-13-15(11-12-26-19(25)14-7-3-2-4-8-14)18(24)23-17-10-6-5-9-16(17)22-20(23)21-13/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,21,22)
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| InChIKey |
MBWBRIRTRMJYEG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound